1. Gas Transport Phenomena in Nanoporous Material
International HPC Summer School 2017
Gas Transport Phenomena in Nanoporous Material
Xinpeng Zhao
Department of Mechanical Engineering
University of Colorado Boulder, Boulder, CO , USA
June 27, 2017
ID: C-20

2. Heat transfer characteristics
Motivation
Geometric characteristics
Highly porous random network (90%~99%)
Large internal surface area (400~1200 m2/g)
Ultra-fine pore size (1~100nm)
Heat transfer characteristics
solid
gas
radiation
total

3. Numerical Methods Direct Simulation Monte Carlo (DSMC)
Quantum scale
Kinetic scale
Hydrodynamic scale
Particle method;
Simulation molecules represent a large number of real molecules;
Based on statistical mechanics;
Be consistent with Boltzmann transport equation ;
Diffusion Limited Cluster Aggregation (DLCA)

4. Thermal Transport Results and validation Fourier’s Law
Reduce the amount of grids;
Ensure the probability of collisions with walls;
Eliminate the Knudsen effects;

5. Mass Transport
Darcy’s Law
Validation

6. Thanks for your attention !
Further Work
Study the phonon transport within the backbone within nanoporous
material with the Monte Carlo method;
Study gas-solid coupling heat transfer effect;
Predict the effective thermal conductivity ;
Thanks for your attention !